N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride

C14H24ClN3O2S — CID 119764489

IUPACN-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCCNC(=O)c1cccs1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-3-7-14(2,15)13(19)17-9-5-8-16-12(18)11-6-4-10-20-11;/h4,6,10H,3,5,7-9,15H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyCQIFVNPLLQGDRO-UHFFFAOYSA-N
MW333.89 g/mol
LogP1.92
Rot. Bonds8

About N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride

N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119764489) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119764489
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC NameN-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCCNC(=O)c1cccs1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-3-7-14(2,15)13(19)17-9-5-8-16-12(18)11-6-4-10-20-11;/h4,6,10H,3,5,7-9,15H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyCQIFVNPLLQGDRO-UHFFFAOYSA-N
XLogP1.92
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701089
2-amino-2-methyl-N-(3-phenylpropyl)pentanamide;hydrochloride
CID 119674817
N-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119702770
N-[3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propyl]thiophene-2-carboxamide
CID 111161643
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120561874
3-(thiophene-2-carbonylamino)propyl acetate
CID 84560045
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[3-[(3-methyl-3-phenylbutanoyl)amino]propyl]thiophene-2-carboxamide
CID 60610285
N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride (CID 119764489) is N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride is CCCC(C)(N)C(=O)NCCCNC(=O)c1cccs1.Cl.
What is the InChIKey of N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is CQIFVNPLLQGDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-3-7-14(2,15)13(19)17-9-5-8-16-12(18)11-6-4-10-20-11;/h4,6,10H,3,5,7-9,15H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride?
N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119764489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).